1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine

C15H21Cl2N — CID 114475621

IUPAC1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N/c1-4-9-18-15(8-5-11(2)3)12-6-7-13(16)14(17)10-12/h6-7,10,15,18H,2,4-5,8-9H2,1,3H3
InChIKeyDLCFAKPYDAMINF-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.39
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine

1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 114475621) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID114475621
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H21Cl2N/c1-4-9-18-15(8-5-11(2)3)12-6-7-13(16)14(17)10-12/h6-7,10,15,18H,2,4-5,8-9H2,1,3H3
InChIKeyDLCFAKPYDAMINF-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(3,4-dichlorophenyl)-4-methylpent-4-enyl]hydrazine
CID 105257099
1-(3,4-dichlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81492270
1-(3,4-dimethoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474092
1-(4-iodophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039748
1-(4-ethylsulfanylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 106849339
1-(3,4-dichlorophenyl)-4-methylpent-4-en-1-amine
CID 114475615
1-(3-fluoro-5-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475635
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
1-(3-bromo-4-chlorophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114475733
1-(2,5-dimethylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039435
[1-(4-chloro-3-methylphenyl)-4-methylpent-4-enyl]hydrazine
CID 105335848
N-[1-(3,4-dichlorophenyl)-2-phenylsulfanylethyl]propan-1-amine
CID 65143250

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine (CID 114475621) is 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is DLCFAKPYDAMINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-4-9-18-15(8-5-11(2)3)12-6-7-13(16)14(17)10-12/h6-7,10,15,18H,2,4-5,8-9H2,1,3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine?
1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 286.25 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 114475621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).